6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine

C15H23NO2 — CID 63094976

IUPAC6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCC(C)(C)C)ccc21
InChIInChI=1S/C15H23NO2/c1-15(2,3)7-8-17-11-5-6-12-13(16-4)10-18-14(12)9-11/h5-6,9,13,16H,7-8,10H2,1-4H3
InChIKeyZTQGFDDYUCYOQC-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.15
Rot. Bonds4

About 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine

6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63094976) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63094976
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
SMILESCNC1COc2cc(OCCC(C)(C)C)ccc21
InChIInChI=1S/C15H23NO2/c1-15(2,3)7-8-17-11-5-6-12-13(16-4)10-18-14(12)9-11/h5-6,9,13,16H,7-8,10H2,1-4H3
InChIKeyZTQGFDDYUCYOQC-UHFFFAOYSA-N
XLogP3.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
2,2-dimethyl-6-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]hexanenitrile
CID 106708821
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
CID 113398857
N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
CID 104805129
N-methyl-6-(2-pyridin-2-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095507
N-ethyl-6-(3,3,3-trifluoropropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 64553942
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 66044717
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218
N-ethyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63097103

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine (CID 63094976) is 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine is CNC1COc2cc(OCCC(C)(C)C)ccc21.
What is the InChIKey of 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is ZTQGFDDYUCYOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-15(2,3)7-8-17-11-5-6-12-13(16-4)10-18-14(12)9-11/h5-6,9,13,16H,7-8,10H2,1-4H3.
What are the key properties of 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine?
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 249.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63094976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).